BDBM50474741 CHEMBL355729

SMILES: CCC1(CC)OC(=C(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=HQNNEEJQPNJQSS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50474741   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50474741 (CHEMBL355729) Show SMILES CCC1(CC)OC(=C(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:6| Show InChI InChI=1S/C22H21F3O4S/c1-4-21(5-2)20(26)18(14-6-10-16(11-7-14)22(23,24)25)19(29-21)15-8-12-17(13-9-15)30(3,27)28/h6-13H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50474741 (CHEMBL355729) Show SMILES CCC1(CC)OC(=C(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:6| Show InChI InChI=1S/C22H21F3O4S/c1-4-21(5-2)20(26)18(14-6-10-16(11-7-14)22(23,24)25)19(29-21)15-8-12-17(13-9-15)30(3,27)28/h6-13H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68.4	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
					More data for this Ligand-Target Pair